2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine

C15H22N2O — CID 104523346

IUPAC2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine
SMILESCCCOc1cccc2c1ccn2C(C)(C)CN
InChIInChI=1S/C15H22N2O/c1-4-10-18-14-7-5-6-13-12(14)8-9-17(13)15(2,3)11-16/h5-9H,4,10-11,16H2,1-3H3
InChIKeyGKBHFNNVPHOKKA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.12
Rot. Bonds5

About 2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine

2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine (PubChem CID 104523346) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine
PubChem CID104523346
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine
SMILESCCCOc1cccc2c1ccn2C(C)(C)CN
InChIInChI=1S/C15H22N2O/c1-4-10-18-14-7-5-6-13-12(14)8-9-17(13)15(2,3)11-16/h5-9H,4,10-11,16H2,1-3H3
InChIKeyGKBHFNNVPHOKKA-UHFFFAOYSA-N
XLogP3.12
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine
CID 83164938
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
1,4-dibutoxyindole
CID 67591447
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
4-[(4-propoxyindol-1-yl)methyl]phenol
CID 83166122
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
1-[(2-bromophenyl)methyl]-4-propoxyindole
CID 83166128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine (CID 104523346) is 2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine is CCCOc1cccc2c1ccn2C(C)(C)CN.
What is the InChIKey of 2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine?
The InChIKey is GKBHFNNVPHOKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-10-18-14-7-5-6-13-12(14)8-9-17(13)15(2,3)11-16/h5-9H,4,10-11,16H2,1-3H3.
What are the key properties of 2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine?
2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine is sourced from PubChem (CID 104523346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).